1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one

C14H15NO2S — CID 82302253

IUPAC1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
SMILESCOc1cccc(-c2nc(C)c(CC(C)=O)s2)c1
InChIInChI=1S/C14H15NO2S/c1-9(16)7-13-10(2)15-14(18-13)11-5-4-6-12(8-11)17-3/h4-6,8H,7H2,1-3H3
InChIKeySZYUPUGEMRQPFI-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one

1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one (PubChem CID 82302253) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
PubChem CID82302253
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
SMILESCOc1cccc(-c2nc(C)c(CC(C)=O)s2)c1
InChIInChI=1S/C14H15NO2S/c1-9(16)7-13-10(2)15-14(18-13)11-5-4-6-12(8-11)17-3/h4-6,8H,7H2,1-3H3
InChIKeySZYUPUGEMRQPFI-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329472
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-[4-(dimethylamino)phenyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329505
2-(dimethylamino)-1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 143281589
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329572
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
ethyl 2-ethoxy-3-[4-[[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]propanoate
CID 68617186
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219724
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
5-(4-fluorophenyl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 118152375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one (CID 82302253) is 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one is COc1cccc(-c2nc(C)c(CC(C)=O)s2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is SZYUPUGEMRQPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(16)7-13-10(2)15-14(18-13)11-5-4-6-12(8-11)17-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 261.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 82302253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).